(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole

C5H9NS — CID 59379164

IUPAC(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1N=CS[C@@H]1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4-,5+/m0/s1
InChIKeyMQULHHGPCRMEGA-CRCLSJGQSA-N
MW115.20 g/mol
LogP1.54
Rot. Bonds

About (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole

(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 59379164) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID59379164
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1N=CS[C@@H]1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4-,5+/m0/s1
InChIKeyMQULHHGPCRMEGA-CRCLSJGQSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4-ethyl-4,5-dihydro-2-methyl-
CID 107254
2,5-Dihydro-2,4,5-trimethylthiazoline
CID 263626
2,4-Dimethyl-4,5-dihydro-1,3-thiazole
CID 535043
5-Methyl-4,5-dihydro-1,3-thiazole
CID 13901673
(s)-4-Isopropyl-4,5-dihydro-thiazole
CID 101620143
Thiazole, 2,4-diethyl-4,5-dihydro-
CID 91863058
3,4-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826786
4-Methylthiazoline
CID 21278646
2-Ethyl-4-methylthiazolin
CID 59103212
4-(Fluoromethyl)-4,5-dihydro-1,3-thiazole
CID 173379042
(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
CID 174268382
Thiazole, 4,5-dihydro-2,4,5-trimethyl-, (4R,5S)-rel-
CID 58230858

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole (CID 59379164) is (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole is C[C@@H]1N=CS[C@@H]1C.
What is the InChIKey of (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is MQULHHGPCRMEGA-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4-,5+/m0/s1.
What are the key properties of (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 59379164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).